Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D3_1KA9-9.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8
poly-Ala A A A A
A
 A
A
A

Grey: Restrictive positions; only 1 or 2 residues predicted after FoldX analysis

Yellow: Tolerant positions; more than 10 residues predicted after FoldX analysis

 

WT ligand    

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Intraclash 3.843 ΔGbinding 1.212
TOTAL
 5.055
Backbone Hb -0.188 Cis_bond 0.000
Sidechain Hb -0.188 Torsional clash 0.738
Van der Waals -4.413 Backbone clash 0.099
Electrostatics -0.610 Helix dipole 0.000
Solvation Polar 5.388 Water bridges 0.007
Solvation Hyd -6.112 Disulfide 0.000
VdW clashes 3.199 Electrost. Kon -0.627
Entropy sc 0.978 Part.cov.bonds 0.000
Entropy mc

3.040

 ΔGstability

37.999
       

Predicted ligand sequences for model [SLA1-D3_1KA9-9.PDB]

(from FoldX scoring matrices).
If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence).
 
  SLA1-D3_1KA9-9.PDB  

(data)
# Predicted Sequences Value Calculate
1 RIFKPRRR 0.0
2 RIFKPPRR 0.01
3 RRFKPRRR 0.07
4 RRFKPPRR 0.08
5 RIFVPRRR 0.12
6 RIFVPPRR 0.13
7 RIYKPRRR 0.13
8 RIYKPPRR 0.14
9 RIPKPRRR 0.19
10 RRYKPRRR 0.19
11 RRFVPRRR 0.19
12 RRFVPPRR 0.2
13 RIPKPPRR 0.21
14 RRYKPPRR 0.21
15 RIFKPKRR 0.23
16 RIYVPRRR 0.25
17 RRPKPRRR 0.26
18 RIYVPPRR 0.26
19 RRPKPPRR 0.27
20 RRFKPKRR 0.29
21 RIPVPRRR 0.31
22 RRYVPRRR 0.31
23 RRYVPPRR 0.33
24 RIPVPPRR 0.33
25 RIFVPKRR 0.35
26 RIYKPKRR 0.35
27 FIFKPRRR 0.37
28 RRPVPRRR 0.38
29 WIFKPRRR 0.38
30 FIFKPPRR 0.38
31 RRPVPPRR 0.39
32 WIFKPPRR 0.39
33 RIFIPRRR 0.4
34 RIFIPPRR 0.41
35 RRFVPKRR 0.41
36 RLFKPRRR 0.41
37 RRYKPKRR 0.42
38 RLFKPPRR 0.42
39 RIPKPKRR 0.42
40 FRFKPRRR 0.43
41 WRFKPRRR 0.44
42 FRFKPPRR 0.45
43 WRFKPPRR 0.45
44 RRFIPRRR 0.46
45 RIYVPKRR 0.48
46 RRPKPKRR 0.48
47 RRFIPPRR 0.48
48 FIYKPRRR 0.49
49 FIFVPRRR 0.49
50 FIFVPPRR 0.5
51 WIYKPRRR 0.5
52 WIFVPRRR 0.5
53 FIYKPPRR 0.51
54 WIFVPPRR 0.51
55 WIYKPPRR 0.52
56 RIYIPRRR 0.53
57 RLYKPRRR 0.53
58 RLFVPRRR 0.53
59 RRYVPKRR 0.54
60 RIYIPPRR 0.54
61 RLFVPPRR 0.54
62 RIPVPKRR 0.54
63 FRFVPRRR 0.55
64 RLYKPPRR 0.55
65 FIPKPRRR 0.56
66 WRFVPRRR 0.56
67 FRYKPRRR 0.56
68 FRFVPPRR 0.57
69 WRYKPRRR 0.57
70 FIPKPPRR 0.57
71 WIPKPRRR 0.57
72 FRYKPPRR 0.57
73 WRFVPPRR 0.58
74 WRYKPPRR 0.58
75 WIPKPPRR 0.58
76 RRYIPRRR 0.59
77 RIPIPRRR 0.59
78 FIFKPKRR 0.59
79 RRPVPKRR 0.6
80 RLPKPRRR 0.6
81 RRYIPPRR 0.6
82 RIPIPPRR 0.6
83 WIFKPKRR 0.6
84 RLPKPPRR 0.61
85 WIYVPRRR 0.62
86 FRPKPRRR 0.62
87 RIFIPKRR 0.62
88 FIYVPRRR 0.62
89 RLFKPKRR 0.63
90 WRPKPRRR 0.63
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RIPKPPRR

6.47

-11.58

-5.11
2 RRFKPPRR

4.68

-9.46

-4.78
3 RIYVPPRR

4.18

-8.94

-4.76
4 RRPKPPRR

5.14

-9.77

-4.63
5 RIFVPPRR

5.45

-9.95

-4.5
6 RIFKPRRR

4.77

-8.96

-4.19
7 RRYVPRRR

4.79

-8.98

-4.19
8 RRFVPRRR

4.21

-8.26

-4.05
9 RRPKPRRR

5.04

-8.96

-3.92
10 RIPVPPRR

5.7

-9.48

-3.78
11 RRFKPRRR

4.59

-8.36

-3.77
12 RIYKPRRR

5.65

-9.26

-3.61
13 RRFKPKRR

5.84

-9.36

-3.52
14 RRYKPPRR

4.14

-7.63

-3.49
15 RIPKPRRR

4.29

-7.76

-3.47
16 RIFKPPRR

5.51

-8.96

-3.45
17 RIYKPKRR

4.69

-8.12

-3.43
18 RRPVPRRR

4.32

-7.69

-3.37
19 RRYKPRRR

4.08

-7.2

-3.12
20 RIFVPKRR

5.04

-8.12

-3.08
21 RIFVPRRR

5.21

-8.25

-3.04
22 RIYKPPRR

6.12

-9.08

-2.96
23 RIPVPRRR

5.28

-8.2

-2.92
24 WIFKPRRR

5.21

-8.1

-2.89
25 RRFVPPRR

4.87

-7.62

-2.75
26 FIFKPPRR

5.96

-8.54

-2.58
27 RIYVPRRR

5.35

-7.47

-2.12
28 FIFKPRRR

5.75

-7.84

-2.09
29 RRYVPPRR

5.44

-7.53

-2.09
30 RIFKPKRR

5.18

-6.49

-1.31

 NOTE: No more than 10 sequences can be selected for new calculations.

If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence.

NOTE: No more than 10 sequences can be selected for new calculations.

If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence.

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